COMPND HMDB0250210 HETATM 1 C1 UNL 1 7.822 -1.350 -0.000 1.00 0.00 C HETATM 2 C2 UNL 1 6.997 -1.790 1.188 1.00 0.00 C HETATM 3 C3 UNL 1 5.562 -1.311 1.101 1.00 0.00 C HETATM 4 C4 UNL 1 5.581 0.187 1.045 1.00 0.00 C HETATM 5 C5 UNL 1 4.868 -1.972 -0.066 1.00 0.00 C HETATM 6 N1 UNL 1 4.935 -3.426 0.236 1.00 0.00 N HETATM 7 C6 UNL 1 3.438 -1.573 -0.187 1.00 0.00 C HETATM 8 O1 UNL 1 2.648 -2.283 0.530 1.00 0.00 O HETATM 9 N2 UNL 1 2.969 -0.530 -0.997 1.00 0.00 N HETATM 10 C7 UNL 1 3.874 0.243 -1.877 1.00 0.00 C HETATM 11 C8 UNL 1 3.476 1.649 -1.514 1.00 0.00 C HETATM 12 C9 UNL 1 2.065 1.558 -0.977 1.00 0.00 C HETATM 13 C10 UNL 1 1.719 0.084 -1.260 1.00 0.00 C HETATM 14 C11 UNL 1 0.531 -0.328 -0.563 1.00 0.00 C HETATM 15 O2 UNL 1 0.467 -1.150 0.359 1.00 0.00 O HETATM 16 N3 UNL 1 -0.715 0.265 -0.965 1.00 0.00 N HETATM 17 C12 UNL 1 -1.985 -0.086 -0.316 1.00 0.00 C HETATM 18 C13 UNL 1 -3.038 -0.626 -1.179 1.00 0.00 C HETATM 19 C14 UNL 1 -4.234 -1.120 -0.441 1.00 0.00 C HETATM 20 C15 UNL 1 -3.812 -2.318 0.453 1.00 0.00 C HETATM 21 N4 UNL 1 -3.262 -3.386 -0.337 1.00 0.00 N HETATM 22 C16 UNL 1 -4.005 -4.155 -1.054 1.00 0.00 C HETATM 23 N5 UNL 1 -3.420 -5.199 -1.820 1.00 0.00 N HETATM 24 N6 UNL 1 -5.396 -3.968 -1.083 1.00 0.00 N HETATM 25 C17 UNL 1 -2.442 1.219 0.322 1.00 0.00 C HETATM 26 O3 UNL 1 -1.541 1.754 1.075 1.00 0.00 O HETATM 27 N7 UNL 1 -3.684 1.794 0.119 1.00 0.00 N HETATM 28 C18 UNL 1 -4.198 2.983 0.689 1.00 0.00 C HETATM 29 C19 UNL 1 -3.480 3.788 1.527 1.00 0.00 C HETATM 30 C20 UNL 1 -4.073 4.935 2.041 1.00 0.00 C HETATM 31 C21 UNL 1 -5.364 5.295 1.737 1.00 0.00 C HETATM 32 N8 UNL 1 -5.921 6.490 2.299 1.00 0.00 N1+ HETATM 33 O4 UNL 1 -5.230 7.195 3.058 1.00 0.00 O HETATM 34 O5 UNL 1 -7.229 6.821 1.970 1.00 0.00 O1- HETATM 35 C22 UNL 1 -6.102 4.493 0.893 1.00 0.00 C HETATM 36 C23 UNL 1 -5.513 3.360 0.387 1.00 0.00 C HETATM 37 H1 UNL 1 8.517 -0.554 0.356 1.00 0.00 H HETATM 38 H2 UNL 1 7.219 -0.891 -0.809 1.00 0.00 H HETATM 39 H3 UNL 1 8.455 -2.166 -0.396 1.00 0.00 H HETATM 40 H4 UNL 1 7.483 -1.458 2.121 1.00 0.00 H HETATM 41 H5 UNL 1 7.051 -2.903 1.194 1.00 0.00 H HETATM 42 H6 UNL 1 5.099 -1.652 2.078 1.00 0.00 H HETATM 43 H7 UNL 1 4.515 0.522 0.936 1.00 0.00 H HETATM 44 H8 UNL 1 5.892 0.587 2.040 1.00 0.00 H HETATM 45 H9 UNL 1 6.193 0.561 0.228 1.00 0.00 H HETATM 46 H10 UNL 1 5.388 -1.743 -0.991 1.00 0.00 H HETATM 47 H11 UNL 1 4.444 -3.512 1.165 1.00 0.00 H HETATM 48 H12 UNL 1 4.294 -3.850 -0.481 1.00 0.00 H HETATM 49 H13 UNL 1 4.919 0.067 -1.713 1.00 0.00 H HETATM 50 H14 UNL 1 3.534 -0.032 -2.904 1.00 0.00 H HETATM 51 H15 UNL 1 4.185 2.122 -0.809 1.00 0.00 H HETATM 52 H16 UNL 1 3.402 2.217 -2.470 1.00 0.00 H HETATM 53 H17 UNL 1 1.372 2.231 -1.489 1.00 0.00 H HETATM 54 H18 UNL 1 2.089 1.664 0.112 1.00 0.00 H HETATM 55 H19 UNL 1 1.588 0.008 -2.399 1.00 0.00 H HETATM 56 H20 UNL 1 -0.771 0.964 -1.728 1.00 0.00 H HETATM 57 H21 UNL 1 -1.740 -0.808 0.486 1.00 0.00 H HETATM 58 H22 UNL 1 -2.668 -1.528 -1.776 1.00 0.00 H HETATM 59 H23 UNL 1 -3.423 0.136 -1.924 1.00 0.00 H HETATM 60 H24 UNL 1 -5.040 -1.494 -1.083 1.00 0.00 H HETATM 61 H25 UNL 1 -4.684 -0.412 0.263 1.00 0.00 H HETATM 62 H26 UNL 1 -3.156 -1.989 1.250 1.00 0.00 H HETATM 63 H27 UNL 1 -4.748 -2.724 0.937 1.00 0.00 H HETATM 64 H28 UNL 1 -2.491 -5.007 -2.252 1.00 0.00 H HETATM 65 H29 UNL 1 -3.926 -6.104 -1.926 1.00 0.00 H HETATM 66 H30 UNL 1 -5.904 -3.808 -1.970 1.00 0.00 H HETATM 67 H31 UNL 1 -5.913 -3.995 -0.165 1.00 0.00 H HETATM 68 H32 UNL 1 -4.318 1.340 -0.601 1.00 0.00 H HETATM 69 H33 UNL 1 -2.471 3.589 1.818 1.00 0.00 H HETATM 70 H34 UNL 1 -3.446 5.538 2.705 1.00 0.00 H HETATM 71 H35 UNL 1 -7.117 4.784 0.661 1.00 0.00 H HETATM 72 H36 UNL 1 -6.133 2.759 -0.273 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 40 41 CONECT 3 4 5 42 CONECT 4 43 44 45 CONECT 5 6 7 46 CONECT 6 47 48 CONECT 7 8 8 9 CONECT 9 10 13 CONECT 10 11 49 50 CONECT 11 12 51 52 CONECT 12 13 53 54 CONECT 13 14 55 CONECT 14 15 15 16 CONECT 16 17 56 CONECT 17 18 25 57 CONECT 18 19 58 59 CONECT 19 20 60 61 CONECT 20 21 62 63 CONECT 21 22 22 CONECT 22 23 24 CONECT 23 64 65 CONECT 24 66 67 CONECT 25 26 26 27 CONECT 27 28 68 CONECT 28 29 29 36 CONECT 29 30 69 CONECT 30 31 31 70 CONECT 31 32 35 CONECT 32 33 33 34 CONECT 35 36 36 71 CONECT 36 72 END